Scientific.IO.PDB.Chain

Package Scientific :: Package IO :: Module PDB :: Class Chain |
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# Class Chain

Known Subclasses:
  - DummyChain
  - , NucleotideChain
  - , PeptideChain

Chain of PDB residues

This is an abstract base class. Instances can be created using one of the subclasses (PeptideChain, NucleotideChain).

Chain objects respond to len() and return their residues by indexing with integers.

Instance Methods
AminoAcidResidue or NucleotideResidue |
__getitem__(self, index) Returns: the residue corresponding to the index |
PeptideChain or NucleotideChain |
__getslice__(self, i1, i2) Returns: the subchain from i1 to i2 |
__init__(self, residues=None, chain_id=None, segment_id=None) |
`int` |
__len__(self) Returns: the number of residues in the chain |
addResidue(self, residue) Add a residue at the end of the chain |
deleteHydrogens(self) Remove all hydrogen atoms in the chain |
removeResidues(self, first, last) Remove residues in a given index range. |
`list` of `str` |
sequence(self) Returns: the list of residue names |
writeToFile(self, file) Write the chain to a file |

Method Details

### __getitem__(self, index) (Indexing operator) |
Parameters: `index` (`int`) - an index into the chain Returns: AminoAcidResidue or NucleotideResidue the residue corresponding to the index Raises: `IndexError` - if index exceeds the chain length

### __getslice__(self, i1, i2) (Slicling operator) |
Parameters: `i1` (`int`) - in index into the chain `i2` - in index into the chain @type i12 `int` Returns: PeptideChain or NucleotideChain the subchain from i1 to i2

### __init__(self, residues=None, chain_id=None, segment_id=None) (Constructor) |
Parameters: `residues` (`list` or `NoneType`) - a list of residue objects, or `None` meaning that the chain is initially empty `chain_id` (`str` or `NoneType`) - a one-letter chain identifier or `None` `segment_id` (`str` or `NoneType`) - a multi-character segment identifier or `None`

### __len__(self) (Length operator) |
Returns: `int` the number of residues in the chain

### addResidue(self, residue) |
Add a residue at the end of the chain Parameters: `residue` (AminoAcidResidue or NucleotideResidue) - the residue to be added

### removeResidues(self, first, last) |
Remove residues in a given index range. Parameters: `first` (`int`) - the index of the first residue to be removed `last` (`int` or `NoneType`) - the index of the first residue to be kept, or `None` meaning remove everything to the end of the chain.

### sequence(self) |
Returns: `list` of `str` the list of residue names

### writeToFile(self, file) |
Write the chain to a file Parameters: `file` (PDBFile or `str`) - a PDBFile object or a file name